Information card for entry 2208592

Structure parameters

• Chemical name: 2-Phenyl-N-(p-tolylsulfonyl)aziridine
• Formula: C15 H15 N O2 S
• Calculated formula: C15 H15 N O2 S
• SMILES: S(=O)(=O)(N1C(c2ccccc2)C1)c1ccc(cc1)C
• Title of publication: 2-Phenyl-<i>N</i>-(<i>p</i>-tolylsulfonyl)aziridine
• Authors of publication: Jie Zhu; Ming-Jie Zhang; Qing-Wei Liu; Zhao-Hui Pan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1507 - o1508
• a: 15.325 ± 0.003 Å
• b: 7.8364 ± 0.0016 Å
• c: 11.773 ± 0.002 Å
• α: 90°
• β: 93.293 ± 0.004°
• γ: 90°
• Cell volume: 1411.5 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes